@complat/react-spectra-editor 1.0.0-rc2 → 1.0.0-rc20.patch-1

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (202) hide show
  1. package/README.md +16 -0
  2. package/dist/__tests__/fixtures/aif_jcamp_1.js +136 -0
  3. package/dist/__tests__/fixtures/aif_jcamp_2.js +122 -0
  4. package/dist/__tests__/fixtures/backup/nmr1h_a.js +3518 -0
  5. package/dist/__tests__/fixtures/backup/xrd_jcamp_1.js +10705 -0
  6. package/dist/__tests__/fixtures/cds_jcamp.js +861 -0
  7. package/dist/__tests__/fixtures/compare_ir_1_jcamp.js +585 -0
  8. package/dist/__tests__/fixtures/compare_ir_2_jcamp.js +515 -0
  9. package/dist/__tests__/fixtures/compare_uv_vis_jcamp.js +640 -0
  10. package/dist/__tests__/fixtures/cyclic_voltammetry_1.js +778 -0
  11. package/dist/__tests__/fixtures/cyclic_voltammetry_2.js +758 -0
  12. package/dist/__tests__/fixtures/cyclic_voltammetry_3.js +759 -0
  13. package/dist/__tests__/fixtures/dls_acf_jcamp.js +148 -0
  14. package/dist/__tests__/fixtures/dls_intensity_jcamp.js +151 -0
  15. package/dist/__tests__/fixtures/emissions_jcamp.js +883 -0
  16. package/dist/__tests__/fixtures/hplc_uvvis_jcamp.js +638 -0
  17. package/dist/__tests__/fixtures/hplc_uvvis_jcamp_2.js +221 -0
  18. package/dist/__tests__/fixtures/ir_jcamp.js +148 -0
  19. package/dist/__tests__/fixtures/ir_result.js +46 -0
  20. package/dist/__tests__/fixtures/ir_svg.js +8 -0
  21. package/dist/__tests__/fixtures/ms_jcamp.js +64 -0
  22. package/dist/__tests__/fixtures/nmr13c_dept_jcamp.js +3543 -0
  23. package/dist/__tests__/fixtures/nmr13c_jcamp.js +1229 -0
  24. package/dist/__tests__/fixtures/nmr15n_jcamp.js +7177 -0
  25. package/dist/__tests__/fixtures/nmr19f_jcamp.js +6560 -0
  26. package/dist/__tests__/fixtures/nmr1h_2_jcamp.js +2005 -0
  27. package/dist/__tests__/fixtures/nmr1h_jcamp.js +4516 -0
  28. package/dist/__tests__/fixtures/nmr29si_jcamp.js +3029 -0
  29. package/dist/__tests__/fixtures/nmr31p_jcamp.js +3418 -0
  30. package/dist/__tests__/fixtures/nmr_result.js +68 -0
  31. package/dist/__tests__/fixtures/nmr_svg.js +8 -0
  32. package/dist/__tests__/fixtures/phenylalanin.js +142 -0
  33. package/dist/__tests__/fixtures/qDescValue.js +65 -0
  34. package/dist/__tests__/fixtures/raman_jcamp.js +410 -0
  35. package/dist/__tests__/fixtures/sec_1_jcamp.js +425 -0
  36. package/dist/__tests__/fixtures/sec_2_jcamp.js +407 -0
  37. package/dist/__tests__/fixtures/sec_3_jcamp.js +408 -0
  38. package/dist/__tests__/fixtures/sec_4_jcamp.js +407 -0
  39. package/dist/__tests__/fixtures/tga_jcamp.js +4157 -0
  40. package/dist/__tests__/fixtures/uv_vis_jcamp.js +249 -0
  41. package/dist/__tests__/fixtures/xrd_jcamp_1.js +436 -0
  42. package/dist/__tests__/fixtures/xrd_jcamp_2.js +955 -0
  43. package/dist/__tests__/fixtures/xrd_jcamp_3.js +1871 -0
  44. package/dist/__tests__/units/components/panel/graph_selection.test.js +72 -0
  45. package/dist/__tests__/units/components/panel/peaks.test.js +87 -0
  46. package/dist/actions/curve.js +15 -14
  47. package/dist/actions/cyclic_voltammetry.js +40 -60
  48. package/dist/actions/edit_peak.js +8 -12
  49. package/dist/actions/forecast.js +16 -24
  50. package/dist/actions/integration.js +12 -18
  51. package/dist/actions/jcamp.js +16 -24
  52. package/dist/actions/layout.js +4 -6
  53. package/dist/actions/manager.js +20 -30
  54. package/dist/actions/meta.js +4 -6
  55. package/dist/actions/multiplicity.js +24 -36
  56. package/dist/actions/scan.js +12 -18
  57. package/dist/actions/shift.js +8 -12
  58. package/dist/actions/status.js +12 -18
  59. package/dist/actions/submit.js +16 -24
  60. package/dist/actions/threshold.js +20 -30
  61. package/dist/actions/ui.js +25 -31
  62. package/dist/actions/wavelength.js +4 -6
  63. package/dist/app.js +25 -23
  64. package/dist/components/cmd_bar/01_viewer.js +24 -34
  65. package/dist/components/cmd_bar/02_zoom.js +18 -28
  66. package/dist/components/cmd_bar/03_peak.js +50 -66
  67. package/dist/components/cmd_bar/04_integration.js +70 -84
  68. package/dist/components/cmd_bar/05_multiplicity.js +42 -56
  69. package/dist/components/cmd_bar/06_undo_redo.js +22 -36
  70. package/dist/components/cmd_bar/07_pecker.js +24 -34
  71. package/dist/components/cmd_bar/common.js +11 -7
  72. package/dist/components/cmd_bar/index.js +17 -23
  73. package/dist/components/cmd_bar/r01_layout.js +79 -56
  74. package/dist/components/cmd_bar/r02_scan.js +70 -87
  75. package/dist/components/cmd_bar/r03_threshold.js +54 -68
  76. package/dist/components/cmd_bar/r04_submit.js +71 -83
  77. package/dist/components/cmd_bar/r05_submit_btn.js +64 -72
  78. package/dist/components/cmd_bar/r06_predict_btn.js +142 -152
  79. package/dist/components/cmd_bar/r07_wavelength_btn.js +28 -36
  80. package/dist/components/cmd_bar/tri_btn.js +91 -113
  81. package/dist/components/common/chem.js +2 -3
  82. package/dist/components/common/comps.js +2 -2
  83. package/dist/components/common/draw.js +30 -11
  84. package/dist/components/d3_line/index.js +154 -176
  85. package/dist/components/d3_line/line_focus.js +595 -739
  86. package/dist/components/d3_multi/index.js +153 -174
  87. package/dist/components/d3_multi/multi_focus.js +725 -850
  88. package/dist/components/d3_rect/index.js +112 -134
  89. package/dist/components/d3_rect/rect_focus.js +163 -208
  90. package/dist/components/forecast/comps.js +60 -68
  91. package/dist/components/forecast/ir_comps.js +49 -56
  92. package/dist/components/forecast/ir_viewer.js +61 -68
  93. package/dist/components/forecast/nmr_comps.js +62 -72
  94. package/dist/components/forecast/nmr_viewer.js +59 -68
  95. package/dist/components/forecast/section_loading.js +39 -63
  96. package/dist/components/forecast_viewer.js +109 -119
  97. package/dist/components/multi_jcamps_viewer.js +97 -113
  98. package/dist/components/panel/compare.js +183 -192
  99. package/dist/components/panel/cyclic_voltamery_data.js +149 -165
  100. package/dist/components/panel/graph_selection.js +143 -132
  101. package/dist/components/panel/index.js +112 -144
  102. package/dist/components/panel/info.js +125 -132
  103. package/dist/components/panel/multiplicity.js +215 -223
  104. package/dist/components/panel/multiplicity_coupling.js +108 -136
  105. package/dist/components/panel/multiplicity_select.js +43 -51
  106. package/dist/components/panel/peaks.js +130 -132
  107. package/dist/constants/action_type.js +23 -39
  108. package/dist/constants/list_layout.js +7 -4
  109. package/dist/constants/list_shift.js +117 -103
  110. package/dist/constants/list_ui.js +3 -6
  111. package/dist/constants/list_wavelength.js +7 -8
  112. package/dist/fn.js +2 -3
  113. package/dist/helpers/brush.js +49 -65
  114. package/dist/helpers/calc.js +2 -4
  115. package/dist/helpers/carbonFeatures.js +22 -20
  116. package/dist/helpers/cfg.js +49 -67
  117. package/dist/helpers/chem.js +450 -393
  118. package/dist/helpers/compass.js +92 -83
  119. package/dist/helpers/converter.js +52 -65
  120. package/dist/helpers/extractParams.js +60 -52
  121. package/dist/helpers/extractPeaksEdit.js +29 -25
  122. package/dist/helpers/focus.js +2 -6
  123. package/dist/helpers/format.js +416 -361
  124. package/dist/helpers/init.js +41 -37
  125. package/dist/helpers/integration.js +18 -21
  126. package/dist/helpers/mount.js +57 -61
  127. package/dist/helpers/multiplicity.js +19 -24
  128. package/dist/helpers/multiplicity_calc.js +39 -50
  129. package/dist/helpers/multiplicity_complat.js +21 -47
  130. package/dist/helpers/multiplicity_manual.js +49 -55
  131. package/dist/helpers/multiplicity_verify_basic.js +108 -111
  132. package/dist/helpers/shift.js +15 -23
  133. package/dist/helpers/zoom.js +7 -11
  134. package/dist/index.js +680 -630
  135. package/dist/layer_content.js +40 -43
  136. package/dist/layer_init.js +162 -184
  137. package/dist/layer_prism.js +38 -41
  138. package/dist/reducers/index.js +2 -3
  139. package/dist/reducers/reducer_curve.js +35 -26
  140. package/dist/reducers/reducer_edit_peak.js +122 -98
  141. package/dist/reducers/reducer_forecast.js +57 -44
  142. package/dist/reducers/reducer_integration.js +135 -103
  143. package/dist/reducers/reducer_jcamp.js +49 -44
  144. package/dist/reducers/reducer_layout.js +5 -6
  145. package/dist/reducers/reducer_manager.js +5 -6
  146. package/dist/reducers/reducer_meta.js +5 -6
  147. package/dist/reducers/reducer_multiplicity.js +100 -77
  148. package/dist/reducers/reducer_scan.js +17 -20
  149. package/dist/reducers/reducer_shift.js +115 -70
  150. package/dist/reducers/reducer_simulation.js +7 -8
  151. package/dist/reducers/reducer_status.js +5 -6
  152. package/dist/reducers/reducer_submit.js +12 -15
  153. package/dist/reducers/reducer_threshold.js +5 -6
  154. package/dist/reducers/reducer_ui.js +5 -6
  155. package/dist/reducers/reducer_voltammetry.js +156 -96
  156. package/dist/reducers/reducer_wavelength.js +5 -6
  157. package/dist/reducers/undo_redo_config.js +3 -5
  158. package/dist/sagas/index.js +2 -15
  159. package/dist/sagas/saga_edit_peak.js +54 -68
  160. package/dist/sagas/saga_manager.js +86 -130
  161. package/dist/sagas/saga_meta.js +25 -31
  162. package/dist/sagas/saga_multi_entities.js +40 -103
  163. package/dist/sagas/saga_multiplicity.js +336 -406
  164. package/dist/sagas/saga_ui.js +296 -475
  165. package/dist/setupTests.js +8 -0
  166. package/dist/third_party/jAnalyzer.js +66 -67
  167. package/dist/third_party/peakInterval.js +34 -34
  168. package/package.json +14 -14
  169. package/dist/components/cmd_bar/03_peak_bk.js +0 -139
  170. package/dist/components/cmd_bar/04_integration_bk.js +0 -180
  171. package/dist/components/cmd_bar/05_multiplicity_bk.js +0 -131
  172. package/dist/components/cmd_bar/r01_layout_bk.js +0 -186
  173. package/dist/components/cmd_bar/r06_predict_btn_bk.js +0 -220
  174. package/dist/components/d3_line/line_focus_bk.js +0 -825
  175. package/dist/components/d3_multi/index_bk.js +0 -210
  176. package/dist/components/d3_multi/multi_focus_bk.js +0 -533
  177. package/dist/components/panel/compare_bk.js +0 -256
  178. package/dist/components/panel/cyclic_voltamery_data_bk.js +0 -292
  179. package/dist/components/panel/index_bk.js +0 -178
  180. package/dist/components/panel/info_bk.js +0 -235
  181. package/dist/components/panel/multiplicity_bk.js +0 -280
  182. package/dist/helpers/carbonFeatures_bk.js +0 -45
  183. package/dist/helpers/cfg_bk.js +0 -80
  184. package/dist/helpers/chem_bk.js +0 -787
  185. package/dist/helpers/compass_bk.js +0 -149
  186. package/dist/helpers/converter_bk.js +0 -96
  187. package/dist/helpers/extractPeaksEdit_bk.js +0 -53
  188. package/dist/helpers/format_bk.js +0 -497
  189. package/dist/index_bk.js +0 -640
  190. package/dist/layer_content_bk.js +0 -105
  191. package/dist/layer_init_bk.js +0 -235
  192. package/dist/layer_prism_bk.js +0 -133
  193. package/dist/reducers/reducer_edit_peak_bk.js +0 -108
  194. package/dist/reducers/reducer_integration_bk.js +0 -134
  195. package/dist/reducers/reducer_jcamp_bk.js +0 -71
  196. package/dist/reducers/reducer_multiplicity_bk.js +0 -126
  197. package/dist/reducers/reducer_shift_bk.js +0 -88
  198. package/dist/reducers/reducer_voltammetry_bk.js +0 -287
  199. package/dist/sagas/saga_edit_peak_bk.js +0 -73
  200. package/dist/sagas/saga_multi_entities_bk.js +0 -106
  201. package/dist/sagas/saga_multiplicity_bk.js +0 -351
  202. package/dist/sagas/saga_ui_bk.js +0 -453
package/dist/index.js CHANGED
@@ -1,14 +1,6 @@
1
1
  "use strict";
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2
 
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  var _interopRequireDefault = require("@babel/runtime/helpers/interopRequireDefault");
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- var _toConsumableArray2 = _interopRequireDefault(require("@babel/runtime/helpers/toConsumableArray"));
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- var _slicedToArray2 = _interopRequireDefault(require("@babel/runtime/helpers/slicedToArray"));
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- var _classCallCheck2 = _interopRequireDefault(require("@babel/runtime/helpers/classCallCheck"));
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- var _createClass2 = _interopRequireDefault(require("@babel/runtime/helpers/createClass"));
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- var _assertThisInitialized2 = _interopRequireDefault(require("@babel/runtime/helpers/assertThisInitialized"));
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- var _inherits2 = _interopRequireDefault(require("@babel/runtime/helpers/inherits"));
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- var _possibleConstructorReturn2 = _interopRequireDefault(require("@babel/runtime/helpers/possibleConstructorReturn"));
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- var _getPrototypeOf2 = _interopRequireDefault(require("@babel/runtime/helpers/getPrototypeOf"));
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4
  var _react = _interopRequireDefault(require("react"));
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  var _reactDom = _interopRequireDefault(require("react-dom"));
14
6
  var _InputBase = _interopRequireDefault(require("@material-ui/core/InputBase"));
@@ -47,46 +39,52 @@ var _sec_1_jcamp = _interopRequireDefault(require("./__tests__/fixtures/sec_1_jc
47
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  var _sec_2_jcamp = _interopRequireDefault(require("./__tests__/fixtures/sec_2_jcamp"));
48
40
  var _sec_3_jcamp = _interopRequireDefault(require("./__tests__/fixtures/sec_3_jcamp"));
49
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  var _sec_4_jcamp = _interopRequireDefault(require("./__tests__/fixtures/sec_4_jcamp"));
42
+ var _aif_jcamp_ = _interopRequireDefault(require("./__tests__/fixtures/aif_jcamp_1"));
43
+ var _aif_jcamp_2 = _interopRequireDefault(require("./__tests__/fixtures/aif_jcamp_2"));
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+ var _emissions_jcamp = _interopRequireDefault(require("./__tests__/fixtures/emissions_jcamp"));
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+ var _dls_acf_jcamp = _interopRequireDefault(require("./__tests__/fixtures/dls_acf_jcamp"));
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+ var _dls_intensity_jcamp = _interopRequireDefault(require("./__tests__/fixtures/dls_intensity_jcamp"));
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47
  var _qDescValue = require("./__tests__/fixtures/qDescValue");
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48
  require("./__tests__/style/svg.css");
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- function _createSuper(Derived) { var hasNativeReflectConstruct = _isNativeReflectConstruct(); return function _createSuperInternal() { var Super = (0, _getPrototypeOf2.default)(Derived), result; if (hasNativeReflectConstruct) { var NewTarget = (0, _getPrototypeOf2.default)(this).constructor; result = Reflect.construct(Super, arguments, NewTarget); } else { result = Super.apply(this, arguments); } return (0, _possibleConstructorReturn2.default)(this, result); }; }
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- function _isNativeReflectConstruct() { if (typeof Reflect === "undefined" || !Reflect.construct) return false; if (Reflect.construct.sham) return false; if (typeof Proxy === "function") return true; try { Boolean.prototype.valueOf.call(Reflect.construct(Boolean, [], function () {})); return true; } catch (e) { return false; } } /* eslint-disable prefer-object-spread, default-param-last, no-nested-ternary */
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- var nmr1HEntity = _app.FN.ExtractJcamp(_nmr1h_jcamp.default);
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- var nmr1HEntity2 = _app.FN.ExtractJcamp(_nmr1h_2_jcamp.default);
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- var nmr13CEntity = _app.FN.ExtractJcamp(_nmr13c_jcamp.default);
57
- var nmr13CDeptEntity = _app.FN.ExtractJcamp(_nmr13c_dept_jcamp.default);
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- var nmr19FEntity = _app.FN.ExtractJcamp(_nmr19f_jcamp.default);
59
- var nmr31PEntity = _app.FN.ExtractJcamp(_nmr31p_jcamp.default);
60
- var nmr15NEntity = _app.FN.ExtractJcamp(_nmr15n_jcamp.default);
61
- var nmr29SiEntity = _app.FN.ExtractJcamp(_nmr29si_jcamp.default);
62
- var irEntity = _app.FN.ExtractJcamp(_ir_jcamp.default);
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- var compIr1Entity = _app.FN.ExtractJcamp(_compare_ir_1_jcamp.default);
64
- var compIr2Entity = _app.FN.ExtractJcamp(_compare_ir_2_jcamp.default);
65
- var ramanEntity = _app.FN.ExtractJcamp(_raman_jcamp.default);
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- var msEntity = _app.FN.ExtractJcamp(_ms_jcamp.default);
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- var uvVisEntity = _app.FN.ExtractJcamp(_uv_vis_jcamp.default);
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- var compUvVisEntity = _app.FN.ExtractJcamp(_compare_uv_vis_jcamp.default);
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- var hplcUVVisEntity = _app.FN.ExtractJcamp(_hplc_uvvis_jcamp.default);
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- var hplcUVVisEntity2 = _app.FN.ExtractJcamp(_hplc_uvvis_jcamp_.default);
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- var tgaEntity = _app.FN.ExtractJcamp(_tga_jcamp.default);
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- var xrdEntity1 = _app.FN.ExtractJcamp(_xrd_jcamp_.default);
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- var xrdEntity2 = _app.FN.ExtractJcamp(_xrd_jcamp_2.default);
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- var cyclicVoltaEntity1 = _app.FN.ExtractJcamp(_cyclic_voltammetry_.default);
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- var cyclicVoltaEntity2 = _app.FN.ExtractJcamp(_cyclic_voltammetry_2.default);
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- var cyclicVoltaEntity3 = _app.FN.ExtractJcamp(_cyclic_voltammetry_3.default);
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- var cdsEntity = _app.FN.ExtractJcamp(_cds_jcamp.default);
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- var secEntity1 = _app.FN.ExtractJcamp(_sec_1_jcamp.default);
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- var secEntity2 = _app.FN.ExtractJcamp(_sec_2_jcamp.default);
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- var secEntity3 = _app.FN.ExtractJcamp(_sec_3_jcamp.default);
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- var secEntity4 = _app.FN.ExtractJcamp(_sec_4_jcamp.default);
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- var DemoWriteIr = /*#__PURE__*/function (_React$Component) {
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- (0, _inherits2.default)(DemoWriteIr, _React$Component);
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- var _super = _createSuper(DemoWriteIr);
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- function DemoWriteIr(props) {
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- var _this;
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- (0, _classCallCheck2.default)(this, DemoWriteIr);
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- _this = _super.call(this, props);
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- _this.state = {
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+ /* eslint-disable prefer-object-spread, default-param-last, no-nested-ternary */
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+
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+ const nmr1HEntity = _app.FN.ExtractJcamp(_nmr1h_jcamp.default);
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+ const nmr1HEntity2 = _app.FN.ExtractJcamp(_nmr1h_2_jcamp.default);
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+ const nmr13CEntity = _app.FN.ExtractJcamp(_nmr13c_jcamp.default);
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+ const nmr13CDeptEntity = _app.FN.ExtractJcamp(_nmr13c_dept_jcamp.default);
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+ const nmr19FEntity = _app.FN.ExtractJcamp(_nmr19f_jcamp.default);
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+ const nmr31PEntity = _app.FN.ExtractJcamp(_nmr31p_jcamp.default);
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+ const nmr15NEntity = _app.FN.ExtractJcamp(_nmr15n_jcamp.default);
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+ const nmr29SiEntity = _app.FN.ExtractJcamp(_nmr29si_jcamp.default);
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+ const irEntity = _app.FN.ExtractJcamp(_ir_jcamp.default);
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+ const compIr1Entity = _app.FN.ExtractJcamp(_compare_ir_1_jcamp.default);
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+ const compIr2Entity = _app.FN.ExtractJcamp(_compare_ir_2_jcamp.default);
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+ const ramanEntity = _app.FN.ExtractJcamp(_raman_jcamp.default);
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+ const msEntity = _app.FN.ExtractJcamp(_ms_jcamp.default);
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+ const uvVisEntity = _app.FN.ExtractJcamp(_uv_vis_jcamp.default);
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+ const compUvVisEntity = _app.FN.ExtractJcamp(_compare_uv_vis_jcamp.default);
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+ const hplcUVVisEntity = _app.FN.ExtractJcamp(_hplc_uvvis_jcamp.default);
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+ const hplcUVVisEntity2 = _app.FN.ExtractJcamp(_hplc_uvvis_jcamp_.default);
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+ const tgaEntity = _app.FN.ExtractJcamp(_tga_jcamp.default);
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+ const xrdEntity1 = _app.FN.ExtractJcamp(_xrd_jcamp_.default);
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+ const xrdEntity2 = _app.FN.ExtractJcamp(_xrd_jcamp_2.default);
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+ const cyclicVoltaEntity1 = _app.FN.ExtractJcamp(_cyclic_voltammetry_.default);
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+ const cyclicVoltaEntity2 = _app.FN.ExtractJcamp(_cyclic_voltammetry_2.default);
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+ const cyclicVoltaEntity3 = _app.FN.ExtractJcamp(_cyclic_voltammetry_3.default);
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+ const cdsEntity = _app.FN.ExtractJcamp(_cds_jcamp.default);
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+ const secEntity1 = _app.FN.ExtractJcamp(_sec_1_jcamp.default);
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+ const secEntity2 = _app.FN.ExtractJcamp(_sec_2_jcamp.default);
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+ const secEntity3 = _app.FN.ExtractJcamp(_sec_3_jcamp.default);
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+ const secEntity4 = _app.FN.ExtractJcamp(_sec_4_jcamp.default);
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+ const aifEntity1 = _app.FN.ExtractJcamp(_aif_jcamp_.default);
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+ const aifEntity2 = _app.FN.ExtractJcamp(_aif_jcamp_2.default);
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+ const emissionsEntity = _app.FN.ExtractJcamp(_emissions_jcamp.default);
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+ const dlsAcfEntity = _app.FN.ExtractJcamp(_dls_acf_jcamp.default);
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+ const dlsIntensityEntity = _app.FN.ExtractJcamp(_dls_intensity_jcamp.default);
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+ class DemoWriteIr extends _react.default.Component {
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+ constructor(props) {
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+ super(props);
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+ this.state = {
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  typ: 'nmr 1h',
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  desc: '',
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90
  predictions: false,
@@ -94,602 +92,654 @@ var DemoWriteIr = /*#__PURE__*/function (_React$Component) {
94
92
  showOthers: false,
95
93
  descChanged: ''
96
94
  };
97
- _this.onClick = _this.onClick.bind((0, _assertThisInitialized2.default)(_this));
98
- _this.writeMpy = _this.writeMpy.bind((0, _assertThisInitialized2.default)(_this));
99
- _this.writePeak = _this.writePeak.bind((0, _assertThisInitialized2.default)(_this));
100
- _this.formatPks = _this.formatPks.bind((0, _assertThisInitialized2.default)(_this));
101
- _this.formatMpy = _this.formatMpy.bind((0, _assertThisInitialized2.default)(_this));
102
- _this.savePeaks = _this.savePeaks.bind((0, _assertThisInitialized2.default)(_this));
103
- _this.predictOp = _this.predictOp.bind((0, _assertThisInitialized2.default)(_this));
104
- _this.updatInput = _this.updatInput.bind((0, _assertThisInitialized2.default)(_this));
105
- _this.loadEntity = _this.loadEntity.bind((0, _assertThisInitialized2.default)(_this));
106
- _this.loadQuill = _this.loadQuill.bind((0, _assertThisInitialized2.default)(_this));
107
- _this.onShowOthers = _this.onShowOthers.bind((0, _assertThisInitialized2.default)(_this));
108
- _this.loadOthers = _this.loadOthers.bind((0, _assertThisInitialized2.default)(_this));
109
- _this.onDescriptionChanged = _this.onDescriptionChanged.bind((0, _assertThisInitialized2.default)(_this));
110
- _this.loadMultiEntities = _this.loadMultiEntities.bind((0, _assertThisInitialized2.default)(_this));
111
- return _this;
95
+ this.onClick = this.onClick.bind(this);
96
+ this.writeMpy = this.writeMpy.bind(this);
97
+ this.writePeak = this.writePeak.bind(this);
98
+ this.formatPks = this.formatPks.bind(this);
99
+ this.formatMpy = this.formatMpy.bind(this);
100
+ this.savePeaks = this.savePeaks.bind(this);
101
+ this.predictOp = this.predictOp.bind(this);
102
+ this.updatInput = this.updatInput.bind(this);
103
+ this.loadEntity = this.loadEntity.bind(this);
104
+ this.loadQuill = this.loadQuill.bind(this);
105
+ this.onShowOthers = this.onShowOthers.bind(this);
106
+ this.loadOthers = this.loadOthers.bind(this);
107
+ this.onDescriptionChanged = this.onDescriptionChanged.bind(this);
108
+ this.loadMultiEntities = this.loadMultiEntities.bind(this);
112
109
  }
113
- (0, _createClass2.default)(DemoWriteIr, [{
114
- key: "onClick",
115
- value: function onClick(typ) {
116
- var _this2 = this;
117
- return function () {
118
- _this2.setState({
119
- typ: typ,
120
- desc: '',
121
- predictions: false,
122
- molecule: ''
123
- });
124
- };
125
- }
126
- }, {
127
- key: "onShowOthers",
128
- value: function onShowOthers(jcamp) {
129
- // eslint-disable-line
130
- this.setState({
131
- showOthers: true
132
- });
133
- }
134
- }, {
135
- key: "onDescriptionChanged",
136
- value: function onDescriptionChanged(content) {
137
- // console.log(content)
110
+ onClick(typ) {
111
+ return () => {
138
112
  this.setState({
139
- descChanged: content
113
+ typ,
114
+ desc: '',
115
+ predictions: false,
116
+ molecule: ''
140
117
  });
118
+ };
119
+ }
120
+ onShowOthers(jcamp) {
121
+ // eslint-disable-line
122
+ this.setState({
123
+ showOthers: true
124
+ });
125
+ }
126
+ onDescriptionChanged(content) {
127
+ // console.log(content)
128
+ this.setState({
129
+ descChanged: content
130
+ });
131
+ }
132
+ loadEntity() {
133
+ const {
134
+ typ
135
+ } = this.state;
136
+ switch (typ) {
137
+ case 'nmr 1h':
138
+ return nmr1HEntity;
139
+ case 'nmr 13c':
140
+ return nmr13CEntity;
141
+ case 'nmr 13c dept':
142
+ return nmr13CDeptEntity;
143
+ case 'nmr 19f':
144
+ return nmr19FEntity;
145
+ case 'nmr 31p':
146
+ return nmr31PEntity;
147
+ case 'nmr 15n':
148
+ return nmr15NEntity;
149
+ case 'nmr 29si':
150
+ return nmr29SiEntity;
151
+ case 'ir':
152
+ return irEntity;
153
+ case 'raman':
154
+ return ramanEntity;
155
+ case 'uv/vis':
156
+ return uvVisEntity;
157
+ case 'hplc uv/vis':
158
+ return hplcUVVisEntity;
159
+ case 'tga':
160
+ return tgaEntity;
161
+ case 'xrd':
162
+ return xrdEntity1;
163
+ case 'cyclic volta':
164
+ return cyclicVoltaEntity2;
165
+ case 'cds':
166
+ return cdsEntity;
167
+ case 'sec':
168
+ return secEntity1;
169
+ case 'aif':
170
+ return aifEntity1;
171
+ case 'emissions':
172
+ return emissionsEntity;
173
+ case 'dls acf':
174
+ return dlsAcfEntity;
175
+ case 'dls intensity':
176
+ return dlsIntensityEntity;
177
+ case 'ms':
178
+ default:
179
+ return msEntity;
141
180
  }
142
- }, {
143
- key: "loadEntity",
144
- value: function loadEntity() {
145
- var typ = this.state.typ;
146
- switch (typ) {
147
- case 'nmr 1h':
148
- return nmr1HEntity;
149
- case 'nmr 13c':
150
- return nmr13CEntity;
151
- case 'nmr 13c dept':
152
- return nmr13CDeptEntity;
153
- case 'nmr 19f':
154
- return nmr19FEntity;
155
- case 'nmr 31p':
156
- return nmr31PEntity;
157
- case 'nmr 15n':
158
- return nmr15NEntity;
159
- case 'nmr 29si':
160
- return nmr29SiEntity;
161
- case 'ir':
162
- return irEntity;
163
- case 'raman':
164
- return ramanEntity;
165
- case 'uv/vis':
166
- return uvVisEntity;
167
- case 'hplc uv/vis':
168
- return hplcUVVisEntity;
169
- case 'tga':
170
- return tgaEntity;
171
- case 'xrd':
172
- return xrdEntity1;
173
- case 'cyclic volta':
174
- return cyclicVoltaEntity2;
175
- case 'cds':
176
- return cdsEntity;
177
- case 'sec':
178
- return secEntity1;
179
- case 'ms':
180
- default:
181
- return msEntity;
182
- }
183
- }
184
- }, {
185
- key: "loadMultiEntities",
186
- value: function loadMultiEntities() {
187
- var typ = this.state.typ;
188
- switch (typ) {
189
- case 'cyclic volta':
190
- return [cyclicVoltaEntity1, cyclicVoltaEntity2, cyclicVoltaEntity3];
191
- case 'multi':
192
- return [nmr1HEntity, nmr1HEntity2];
193
- case 'multi hplc':
194
- return [hplcUVVisEntity, hplcUVVisEntity2];
195
- case 'multi ir':
196
- return [compIr1Entity, compIr2Entity];
197
- case 'multi xrd':
198
- return [xrdEntity1, xrdEntity2];
199
- case 'sec':
200
- return [secEntity1, secEntity2, secEntity3, secEntity4];
201
- default:
202
- return false;
203
- }
204
- }
205
- }, {
206
- key: "loadQuill",
207
- value: function loadQuill() {
208
- var typ = this.state.typ;
209
- switch (typ) {
210
- case 'nmr 1h':
211
- return _qDescValue.q1H;
212
- case 'nmr 13c':
213
- return _qDescValue.q13C;
214
- case 'nmr 13c dept':
215
- return _qDescValue.q13C;
216
- case 'ir':
217
- return _qDescValue.qIR;
218
- case 'nmr 19f':
219
- case 'nmr 31p':
220
- case 'nmr 15n':
221
- case 'nmr 29si':
222
- case 'raman':
223
- case 'uv/vis':
224
- case 'hplc uv/vis':
225
- case 'tga':
226
- case 'xrd':
227
- case 'ms':
228
- case 'cyclic volta':
229
- case 'cds':
230
- case 'sec':
231
- default:
232
- return false;
233
- }
234
- }
235
- }, {
236
- key: "loadOthers",
237
- value: function loadOthers() {
238
- var _this$state = this.state,
239
- showOthers = _this$state.showOthers,
240
- typ = _this$state.typ;
241
- var isIr = typ === 'ir';
242
- var isXRD = typ === 'xrd';
243
- var others = showOthers ? isIr ? [compIr1Entity, compIr2Entity] : isXRD ? [xrdEntity2] : [compUvVisEntity] : [];
244
- return {
245
- others: others,
246
- addOthersCb: this.onShowOthers
247
- };
181
+ }
182
+ loadMultiEntities() {
183
+ const {
184
+ typ
185
+ } = this.state;
186
+ switch (typ) {
187
+ case 'cyclic volta':
188
+ return [cyclicVoltaEntity1, cyclicVoltaEntity2, cyclicVoltaEntity3];
189
+ case 'multi':
190
+ return [nmr1HEntity, nmr1HEntity2];
191
+ case 'multi hplc':
192
+ return [hplcUVVisEntity, hplcUVVisEntity2];
193
+ case 'multi ir':
194
+ return [compIr1Entity, compIr2Entity];
195
+ case 'multi xrd':
196
+ return [xrdEntity1, xrdEntity2];
197
+ case 'sec':
198
+ return [secEntity1, secEntity2, secEntity3, secEntity4];
199
+ case 'aif':
200
+ return [aifEntity1, aifEntity2];
201
+ default:
202
+ return false;
248
203
  }
249
- }, {
250
- key: "rmDollarSign",
251
- value: function rmDollarSign(target) {
252
- return target.replace(/\$/g, '');
204
+ }
205
+ loadQuill() {
206
+ const {
207
+ typ
208
+ } = this.state;
209
+ switch (typ) {
210
+ case 'nmr 1h':
211
+ return _qDescValue.q1H;
212
+ case 'nmr 13c':
213
+ return _qDescValue.q13C;
214
+ case 'nmr 13c dept':
215
+ return _qDescValue.q13C;
216
+ case 'ir':
217
+ return _qDescValue.qIR;
218
+ case 'nmr 19f':
219
+ case 'nmr 31p':
220
+ case 'nmr 15n':
221
+ case 'nmr 29si':
222
+ case 'raman':
223
+ case 'uv/vis':
224
+ case 'hplc uv/vis':
225
+ case 'tga':
226
+ case 'xrd':
227
+ case 'ms':
228
+ case 'cyclic volta':
229
+ case 'cds':
230
+ case 'sec':
231
+ case 'aif':
232
+ case 'emissions':
233
+ case 'dls acf':
234
+ case 'dls intensity':
235
+ default:
236
+ return false;
253
237
  }
254
- }, {
255
- key: "formatPks",
256
- value: function formatPks(_ref) {
257
- var peaks = _ref.peaks,
258
- layout = _ref.layout,
259
- shift = _ref.shift,
260
- isAscend = _ref.isAscend,
261
- decimal = _ref.decimal,
262
- isIntensity = _ref.isIntensity,
263
- integration = _ref.integration;
264
- var entity = this.loadEntity();
265
- var features = entity.features;
266
- var _ref2 = Array.isArray(features) ? {} : features.editPeak || features.autoPeak,
267
- maxY = _ref2.maxY,
268
- minY = _ref2.minY;
269
- var boundary = {
270
- maxY: maxY,
271
- minY: minY
238
+ }
239
+ loadOthers() {
240
+ const {
241
+ showOthers,
242
+ typ
243
+ } = this.state;
244
+ const isIr = typ === 'ir';
245
+ const isXRD = typ === 'xrd';
246
+ const others = showOthers ? isIr ? [compIr1Entity, compIr2Entity] : isXRD ? [xrdEntity2] : [compUvVisEntity] : [];
247
+ return {
248
+ others,
249
+ addOthersCb: this.onShowOthers
250
+ };
251
+ }
252
+ rmDollarSign(target) {
253
+ return target.replace(/\$/g, '');
254
+ }
255
+ formatPks(_ref) {
256
+ let {
257
+ peaks,
258
+ layout,
259
+ shift,
260
+ isAscend,
261
+ decimal,
262
+ isIntensity,
263
+ integration,
264
+ waveLength
265
+ } = _ref;
266
+ const entity = this.loadEntity();
267
+ const {
268
+ features
269
+ } = entity;
270
+ const {
271
+ temperature
272
+ } = entity;
273
+ const {
274
+ maxY,
275
+ minY
276
+ } = Array.isArray(features) ? {} : features.editPeak || features.autoPeak;
277
+ const boundary = {
278
+ maxY,
279
+ minY
280
+ };
281
+ const body = _app.FN.peaksBody({
282
+ peaks,
283
+ layout,
284
+ decimal,
285
+ shift,
286
+ isAscend,
287
+ isIntensity,
288
+ boundary,
289
+ integration,
290
+ waveLength,
291
+ temperature
292
+ });
293
+ const wrapper = _app.FN.peaksWrapper(layout, shift);
294
+ const desc = this.rmDollarSign(wrapper.head) + body + wrapper.tail;
295
+ return desc;
296
+ }
297
+ formatMpy(_ref2) {
298
+ let {
299
+ multiplicity,
300
+ integration,
301
+ shift,
302
+ isAscend,
303
+ decimal,
304
+ layout
305
+ } = _ref2;
306
+ // obsv freq
307
+ const entity = this.loadEntity();
308
+ const {
309
+ features
310
+ } = entity;
311
+ const {
312
+ observeFrequency
313
+ } = Array.isArray(features) ? features[0] : features.editPeak || features.autoPeak;
314
+ const freq = observeFrequency[0];
315
+ const freqStr = freq ? `${parseInt(freq, 10)} MHz, ` : '';
316
+ // multiplicity
317
+ const {
318
+ refArea,
319
+ refFactor
320
+ } = integration;
321
+ const shiftVal = multiplicity.shift;
322
+ const ms = multiplicity.stack;
323
+ const is = integration.stack;
324
+ const macs = ms.map(m => {
325
+ const {
326
+ peaks,
327
+ mpyType,
328
+ xExtent
329
+ } = m;
330
+ const {
331
+ xL,
332
+ xU
333
+ } = xExtent;
334
+ const it = is.filter(i => i.xL === xL && i.xU === xU)[0] || {
335
+ area: 0
272
336
  };
273
- var body = _app.FN.peaksBody({
274
- peaks: peaks,
275
- layout: layout,
276
- decimal: decimal,
277
- shift: shift,
278
- isAscend: isAscend,
279
- isIntensity: isIntensity,
280
- boundary: boundary,
281
- integration: integration
282
- });
283
- var wrapper = _app.FN.peaksWrapper(layout, shift);
284
- var desc = this.rmDollarSign(wrapper.head) + body + wrapper.tail;
285
- return desc;
286
- }
287
- }, {
288
- key: "formatMpy",
289
- value: function formatMpy(_ref3) {
290
- var multiplicity = _ref3.multiplicity,
291
- integration = _ref3.integration,
292
- shift = _ref3.shift,
293
- isAscend = _ref3.isAscend,
294
- decimal = _ref3.decimal,
295
- layout = _ref3.layout;
296
- // obsv freq
297
- var entity = this.loadEntity();
298
- var features = entity.features;
299
- var _ref4 = Array.isArray(features) ? features[0] : features.editPeak || features.autoPeak,
300
- observeFrequency = _ref4.observeFrequency;
301
- var freq = observeFrequency[0];
302
- var freqStr = freq ? "".concat(parseInt(freq, 10), " MHz, ") : '';
303
- // multiplicity
304
- var refArea = integration.refArea,
305
- refFactor = integration.refFactor;
306
- var shiftVal = multiplicity.shift;
307
- var ms = multiplicity.stack;
308
- var is = integration.stack;
309
- var macs = ms.map(function (m) {
310
- var peaks = m.peaks,
311
- mpyType = m.mpyType,
312
- xExtent = m.xExtent;
313
- var xL = xExtent.xL,
314
- xU = xExtent.xU;
315
- var it = is.filter(function (i) {
316
- return i.xL === xL && i.xU === xU;
317
- })[0] || {
318
- area: 0
319
- };
320
- var area = it.area * refFactor / refArea; // eslint-disable-line
321
- var center = _app.FN.calcMpyCenter(peaks, shiftVal, mpyType);
322
- var xs = m.peaks.map(function (p) {
323
- return p.x;
324
- }).sort(function (a, b) {
325
- return a - b;
326
- });
327
- var _ref5 = isAscend ? [0, xs.length - 1] : [xs.length - 1, 0],
328
- _ref6 = (0, _slicedToArray2.default)(_ref5, 2),
329
- aIdx = _ref6[0],
330
- bIdx = _ref6[1];
331
- var mxA = mpyType === 'm' ? (xs[aIdx] - shiftVal).toFixed(decimal) : 0;
332
- var mxB = mpyType === 'm' ? (xs[bIdx] - shiftVal).toFixed(decimal) : 0;
333
- return Object.assign({}, m, {
334
- area: area,
335
- center: center,
336
- mxA: mxA,
337
- mxB: mxB
338
- });
339
- }).sort(function (a, b) {
340
- return isAscend ? a.center - b.center : b.center - a.center;
341
- });
342
- var str = macs.map(function (m) {
343
- var c = m.center;
344
- var type = m.mpyType;
345
- var it = Math.round(m.area);
346
- var js = m.js.map(function (j) {
347
- return "J = ".concat(j.toFixed(1), " Hz");
348
- }).join(', ');
349
- var atomCount = layout === '1H' ? ", ".concat(it, "H") : '';
350
- var location = type === 'm' ? "".concat(m.mxA, "\u2013").concat(m.mxB) : "".concat(c.toFixed(decimal));
351
- return m.js.length === 0 ? "".concat(location, " (").concat(type).concat(atomCount, ")") : "".concat(location, " (").concat(type, ", ").concat(js).concat(atomCount, ")");
352
- }).join(', ');
353
- var _shift$ref = shift.ref,
354
- label = _shift$ref.label,
355
- value = _shift$ref.value,
356
- name = _shift$ref.name;
357
- var solvent = label ? "".concat(name.split('(')[0].trim(), " [").concat(value.toFixed(decimal), " ppm], ") : '';
358
- return "".concat(layout, " NMR (").concat(freqStr).concat(solvent, "ppm) \u03B4 = ").concat(str, ".");
359
- }
360
- }, {
361
- key: "writeMpy",
362
- value: function writeMpy(_ref7) {
363
- var layout = _ref7.layout,
364
- shift = _ref7.shift,
365
- isAscend = _ref7.isAscend,
366
- decimal = _ref7.decimal,
367
- multiplicity = _ref7.multiplicity,
368
- integration = _ref7.integration;
369
- if (['1H', '13C', '19F'].indexOf(layout) < 0) return;
370
- var desc = this.formatMpy({
371
- multiplicity: multiplicity,
372
- integration: integration,
373
- shift: shift,
374
- isAscend: isAscend,
375
- decimal: decimal,
376
- layout: layout
377
- });
378
- this.setState({
379
- desc: desc
337
+ const area = it.area * refFactor / refArea; // eslint-disable-line
338
+ const center = _app.FN.calcMpyCenter(peaks, shiftVal, mpyType);
339
+ const xs = m.peaks.map(p => p.x).sort((a, b) => a - b);
340
+ const [aIdx, bIdx] = isAscend ? [0, xs.length - 1] : [xs.length - 1, 0];
341
+ const mxA = mpyType === 'm' ? (xs[aIdx] - shiftVal).toFixed(decimal) : 0;
342
+ const mxB = mpyType === 'm' ? (xs[bIdx] - shiftVal).toFixed(decimal) : 0;
343
+ return Object.assign({}, m, {
344
+ area,
345
+ center,
346
+ mxA,
347
+ mxB
380
348
  });
349
+ }).sort((a, b) => isAscend ? a.center - b.center : b.center - a.center);
350
+ const str = macs.map(m => {
351
+ const c = m.center;
352
+ const type = m.mpyType;
353
+ const it = Math.round(m.area);
354
+ const js = m.js.map(j => `J = ${j.toFixed(1)} Hz`).join(', ');
355
+ const atomCount = layout === '1H' ? `, ${it}H` : '';
356
+ const location = type === 'm' ? `${m.mxA}–${m.mxB}` : `${c.toFixed(decimal)}`;
357
+ return m.js.length === 0 ? `${location} (${type}${atomCount})` : `${location} (${type}, ${js}${atomCount})`;
358
+ }).join(', ');
359
+ const {
360
+ label,
361
+ value,
362
+ name
363
+ } = shift.ref;
364
+ const solvent = label ? `${name.split('(')[0].trim()} [${value.toFixed(decimal)} ppm], ` : '';
365
+ return `${layout} NMR (${freqStr}${solvent}ppm) δ = ${str}.`;
366
+ }
367
+ writeMpy(_ref3) {
368
+ let {
369
+ layout,
370
+ shift,
371
+ isAscend,
372
+ decimal,
373
+ multiplicity,
374
+ integration
375
+ } = _ref3;
376
+ if (!_app.FN.isNmrLayout(layout)) return;
377
+ const desc = this.formatMpy({
378
+ multiplicity,
379
+ integration,
380
+ shift,
381
+ isAscend,
382
+ decimal,
383
+ layout
384
+ });
385
+ this.setState({
386
+ desc
387
+ });
388
+ }
389
+ writePeak(_ref4) {
390
+ let {
391
+ peaks,
392
+ layout,
393
+ shift,
394
+ isAscend,
395
+ decimal,
396
+ isIntensity,
397
+ integration,
398
+ waveLength
399
+ } = _ref4;
400
+ const desc = this.formatPks({
401
+ peaks,
402
+ layout,
403
+ shift,
404
+ isAscend,
405
+ decimal,
406
+ isIntensity,
407
+ integration,
408
+ waveLength
409
+ });
410
+ this.setState({
411
+ desc
412
+ });
413
+ }
414
+ savePeaks(_ref5) {
415
+ let {
416
+ peaks,
417
+ layout,
418
+ shift,
419
+ isAscend,
420
+ decimal,
421
+ analysis,
422
+ isIntensity,
423
+ integration,
424
+ multiplicity,
425
+ waveLength
426
+ } = _ref5;
427
+ const entity = this.loadEntity();
428
+ const {
429
+ features
430
+ } = entity;
431
+ const {
432
+ temperature
433
+ } = entity;
434
+ const {
435
+ maxY,
436
+ minY
437
+ } = Array.isArray(features) ? features[0] : features.editPeak || features.autoPeak;
438
+ const boundary = {
439
+ maxY,
440
+ minY
441
+ };
442
+ const body = _app.FN.peaksBody({
443
+ peaks,
444
+ layout,
445
+ decimal,
446
+ shift,
447
+ isAscend,
448
+ isIntensity,
449
+ boundary,
450
+ waveLength,
451
+ temperature
452
+ });
453
+ /*eslint-disable */
454
+ console.log(analysis);
455
+ console.log(integration);
456
+ console.log(multiplicity);
457
+ if (shift.ref.label) {
458
+ const label = this.rmDollarSign(shift.ref.label);
459
+ alert(`Peaks: ${body}` + '\n' + '- - - - - - - - - - -' + '\n' + `Shift solvent = ${label}, ${shift.ref.value}ppm` + '\n');
460
+ } else {
461
+ alert(`Peaks: ${body}` + '\n');
381
462
  }
382
- }, {
383
- key: "writePeak",
384
- value: function writePeak(_ref8) {
385
- var peaks = _ref8.peaks,
386
- layout = _ref8.layout,
387
- shift = _ref8.shift,
388
- isAscend = _ref8.isAscend,
389
- decimal = _ref8.decimal,
390
- isIntensity = _ref8.isIntensity,
391
- integration = _ref8.integration;
392
- var desc = this.formatPks({
393
- peaks: peaks,
394
- layout: layout,
395
- shift: shift,
396
- isAscend: isAscend,
397
- decimal: decimal,
398
- isIntensity: isIntensity,
399
- integration: integration
400
- });
463
+ /*eslint-disable */
464
+ }
465
+
466
+ predictOp(_ref6) {
467
+ let {
468
+ multiplicity,
469
+ curveSt
470
+ } = _ref6;
471
+ const {
472
+ curveIdx
473
+ } = curveSt;
474
+ const {
475
+ multiplicities
476
+ } = multiplicity;
477
+ const selectedMultiplicity = multiplicities[curveIdx];
478
+ const {
479
+ stack,
480
+ shift
481
+ } = selectedMultiplicity;
482
+ const targets = stack.map(stk => {
483
+ const {
484
+ mpyType,
485
+ peaks
486
+ } = stk;
487
+ return _app.FN.CalcMpyCenter(peaks, shift, mpyType);
488
+ });
489
+ // console.log(targets)
490
+ const {
491
+ molecule,
492
+ typ
493
+ } = this.state;
494
+ const predictions = {
495
+ running: true
496
+ };
497
+ this.setState({
498
+ predictions
499
+ });
500
+ // simulate fetching...
501
+ const result = typ === 'ir' ? _ir_result.default : _nmr_result.default;
502
+ setTimeout(() => {
401
503
  this.setState({
402
- desc: desc
504
+ predictions: result
403
505
  });
506
+ }, 2000);
507
+ }
508
+ updatInput(e) {
509
+ const molecule = e.target.value;
510
+ this.setState({
511
+ molecule
512
+ });
513
+ }
514
+ render() {
515
+ const {
516
+ desc,
517
+ predictions,
518
+ molecule,
519
+ typ
520
+ } = this.state;
521
+ const entity = this.loadEntity();
522
+ const qDescVal = this.loadQuill();
523
+ const multiEntities = this.loadMultiEntities();
524
+ let operations = [{
525
+ name: 'write peaks',
526
+ value: this.writePeak
527
+ }, {
528
+ name: 'save',
529
+ value: this.savePeaks
530
+ }].filter(r => r.value);
531
+ if (_app.FN.isNmrLayout(entity.layout)) {
532
+ operations = [{
533
+ name: 'write multiplicity',
534
+ value: this.writeMpy
535
+ }, ...operations];
404
536
  }
405
- }, {
406
- key: "savePeaks",
407
- value: function savePeaks(_ref9) {
408
- var peaks = _ref9.peaks,
409
- layout = _ref9.layout,
410
- shift = _ref9.shift,
411
- isAscend = _ref9.isAscend,
412
- decimal = _ref9.decimal,
413
- analysis = _ref9.analysis,
414
- isIntensity = _ref9.isIntensity,
415
- integration = _ref9.integration,
416
- multiplicity = _ref9.multiplicity;
417
- var entity = this.loadEntity();
418
- var features = entity.features;
419
- var _ref10 = Array.isArray(features) ? features[0] : features.editPeak || features.autoPeak,
420
- maxY = _ref10.maxY,
421
- minY = _ref10.minY;
422
- var boundary = {
423
- maxY: maxY,
424
- minY: minY
425
- };
426
- var body = _app.FN.peaksBody({
427
- peaks: peaks,
428
- layout: layout,
429
- decimal: decimal,
430
- shift: shift,
431
- isAscend: isAscend,
432
- isIntensity: isIntensity,
433
- boundary: boundary
434
- });
435
- /*eslint-disable */
436
- console.log(analysis);
437
- console.log(integration);
438
- console.log(multiplicity);
439
- if (shift.ref.label) {
440
- var label = this.rmDollarSign(shift.ref.label);
441
- alert("Peaks: ".concat(body) + '\n' + '- - - - - - - - - - -' + '\n' + "Shift solvent = ".concat(label, ", ").concat(shift.ref.value, "ppm") + '\n');
442
- } else {
443
- alert("Peaks: ".concat(body) + '\n');
537
+ const refreshCb = () => alert('Refresch simulation!');
538
+ const forecast = {
539
+ btnCb: this.predictOp,
540
+ refreshCb,
541
+ inputCb: this.updatInput,
542
+ molecule: molecule,
543
+ predictions
544
+ };
545
+ const molSvg = ['nmr 1h', 'ir'].indexOf(typ) >= 0 ? _phenylalanin.default.path : '';
546
+ const others = this.loadOthers();
547
+ return /*#__PURE__*/_react.default.createElement("div", {
548
+ style: {
549
+ width: Math.round(window.innerWidth * 0.96)
444
550
  }
445
- /*eslint-disable */
446
- }
447
- }, {
448
- key: "predictOp",
449
- value: function predictOp(_ref11) {
450
- var _this3 = this;
451
- var multiplicity = _ref11.multiplicity;
452
- var stack = multiplicity.stack,
453
- shift = multiplicity.shift;
454
- var targets = stack.map(function (stk) {
455
- var mpyType = stk.mpyType,
456
- peaks = stk.peaks;
457
- return _app.FN.CalcMpyCenter(peaks, shift, mpyType);
458
- });
459
- // console.log(targets)
460
- var _this$state2 = this.state,
461
- molecule = _this$state2.molecule,
462
- typ = _this$state2.typ;
463
- var predictions = {
464
- running: true
465
- };
466
- this.setState({
467
- predictions: predictions
468
- });
469
- // simulate fetching...
470
- var result = typ === 'ir' ? _ir_result.default : _nmr_result.default;
471
- setTimeout(function () {
472
- _this3.setState({
473
- predictions: result
474
- });
475
- }, 2000);
476
- }
477
- }, {
478
- key: "updatInput",
479
- value: function updatInput(e) {
480
- var molecule = e.target.value;
481
- this.setState({
482
- molecule: molecule
483
- });
484
- }
485
- }, {
486
- key: "render",
487
- value: function render() {
488
- var _this$state3 = this.state,
489
- desc = _this$state3.desc,
490
- predictions = _this$state3.predictions,
491
- molecule = _this$state3.molecule,
492
- typ = _this$state3.typ;
493
- var entity = this.loadEntity();
494
- var qDescVal = this.loadQuill();
495
- var multiEntities = this.loadMultiEntities();
496
- var operations = [{
497
- name: 'write peaks',
498
- value: this.writePeak
499
- }, {
500
- name: 'save',
501
- value: this.savePeaks
502
- }].filter(function (r) {
503
- return r.value;
504
- });
505
- if (['1H', '13C', '19F', '31P', '15N', '29Si'].indexOf(entity.layout) >= 0) {
506
- operations = [{
507
- name: 'write multiplicity',
508
- value: this.writeMpy
509
- }].concat((0, _toConsumableArray2.default)(operations));
551
+ }, /*#__PURE__*/_react.default.createElement("div", {
552
+ style: {
553
+ margin: '0 0 15px 55px'
510
554
  }
511
- var refreshCb = function refreshCb() {
512
- return alert('Refresch simulation!');
513
- };
514
- var forecast = {
515
- btnCb: this.predictOp,
516
- refreshCb: refreshCb,
517
- inputCb: this.updatInput,
518
- molecule: molecule,
519
- predictions: predictions
520
- };
521
- var molSvg = ['nmr 1h', 'ir'].indexOf(typ) >= 0 ? _phenylalanin.default.path : '';
522
- var others = this.loadOthers();
523
- return /*#__PURE__*/_react.default.createElement("div", {
524
- style: {
525
- width: Math.round(window.innerWidth * 0.96)
526
- }
527
- }, /*#__PURE__*/_react.default.createElement("div", {
528
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529
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530
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532
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533
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534
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537
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550
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552
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561
- }, "NMR 31P"), /*#__PURE__*/_react.default.createElement(_Button.default, {
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563
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564
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567
- }, "NMR 15N"), /*#__PURE__*/_react.default.createElement(_Button.default, {
568
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570
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573
- }, "NMR 29Si"), /*#__PURE__*/_react.default.createElement(_Button.default, {
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- variant: "contained",
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- },
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582
- margin: '0 10px 0 10px'
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688
- margin: "dense",
689
- value: desc
690
- }))));
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- }
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- }]);
693
- return DemoWriteIr;
694
- }(_react.default.Component); // - - - DOM - - -
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+ }, /*#__PURE__*/_react.default.createElement(_Button.default, {
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+ variant: "contained",
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